CID 3035112

63980-22-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

C1CC2=CC=CC=C2CC1NC(=S)N

InChI

InChI=1S/C11H14N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H3,12,13,14)

InChIKey

RQTPBLRMULNSNS-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydronaphthalen-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.08777 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.09505	141.7
[M+Na]+	229.07699	147.2
[M-H]-	205.08049	145.0
[M+NH4]+	224.12159	161.3
[M+K]+	245.05093	142.9
[M+H-H2O]+	189.08503	135.6
[M+HCOO]-	251.08597	157.9
[M+CH3COO]-	265.10162	188.8
[M+Na-2H]-	227.06244	145.5
[M]+	206.08722	137.2
[M]-	206.08832	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe